1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide

C14H30IN3 — CID 109469009

IUPAC1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
SMILESCCC1(CN/C(=N/C)NCCC(C)C)CCC1.I
InChIInChI=1S/C14H29N3.HI/c1-5-14(8-6-9-14)11-17-13(15-4)16-10-7-12(2)3;/h12H,5-11H2,1-4H3,(H2,15,16,17);1H
InChIKeyZDAHNZCTGYLPAM-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.40
Rot. Bonds6

About 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide (PubChem CID 109469009) has the molecular formula C14H30IN3 and a molecular weight of 367.32 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
PubChem CID109469009
Molecular FormulaC14H30IN3
Molecular Weight367.32 g/mol
Exact Mass367.15
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
SMILESCCC1(CN/C(=N/C)NCCC(C)C)CCC1.I
InChIInChI=1S/C14H29N3.HI/c1-5-14(8-6-9-14)11-17-13(15-4)16-10-7-12(2)3;/h12H,5-11H2,1-4H3,(H2,15,16,17);1H
InChIKeyZDAHNZCTGYLPAM-UHFFFAOYSA-N
XLogP3.40
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 109468657
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 109470912
1-butyl-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470050
2-methyl-1,3-bis(3-methylbutyl)guanidine;hydroiodide
CID 110978186
1-(3-ethoxypropyl)-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109469390
methyl 3-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 109468990
1-[3-(diethylamino)propyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109468661
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 109470033
methyl 5-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]pentanoate
CID 109470016
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109470295
ethyl 4-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 109469358
N-[3-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]propyl]cyclobutanecarboxamide;hydroiodide
CID 109470199

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide (CID 109469009) is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide is CCC1(CN/C(=N/C)NCCC(C)C)CCC1.I.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide?
The InChIKey is ZDAHNZCTGYLPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.HI/c1-5-14(8-6-9-14)11-17-13(15-4)16-10-7-12(2)3;/h12H,5-11H2,1-4H3,(H2,15,16,17);1H.
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide?
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide has a molecular weight of 367.32 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 109469009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).